2,2-dimethylbenzo[h]chromene-5,6-dione

C15H12O3 — CID 24991545

IUPAC2,2-dimethylbenzo[h]chromene-5,6-dione
SMILESCC1(C)C=CC2=C(O1)c1ccccc1C(=O)C2=O
InChIInChI=1S/C15H12O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-8H,1-2H3
InChIKeyRDUXRYJQWALZGE-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.53
Rot. Bonds

About 2,2-dimethylbenzo[h]chromene-5,6-dione

2,2-dimethylbenzo[h]chromene-5,6-dione (PubChem CID 24991545) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2,2-dimethylbenzo[h]chromene-5,6-dione.

Molecular Properties

Compound Name2,2-dimethylbenzo[h]chromene-5,6-dione
PubChem CID24991545
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name2,2-dimethylbenzo[h]chromene-5,6-dione
SMILESCC1(C)C=CC2=C(O1)c1ccccc1C(=O)C2=O
InChIInChI=1S/C15H12O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-8H,1-2H3
InChIKeyRDUXRYJQWALZGE-UHFFFAOYSA-N
XLogP2.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbenzo[h]chromene-5,6-dione?
The IUPAC name of 2,2-dimethylbenzo[h]chromene-5,6-dione (CID 24991545) is 2,2-dimethylbenzo[h]chromene-5,6-dione.
What is the SMILES notation for 2,2-dimethylbenzo[h]chromene-5,6-dione?
The canonical SMILES for 2,2-dimethylbenzo[h]chromene-5,6-dione is CC1(C)C=CC2=C(O1)c1ccccc1C(=O)C2=O.
What is the InChIKey of 2,2-dimethylbenzo[h]chromene-5,6-dione?
The InChIKey is RDUXRYJQWALZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-8H,1-2H3.
What are the key properties of 2,2-dimethylbenzo[h]chromene-5,6-dione?
2,2-dimethylbenzo[h]chromene-5,6-dione has a molecular weight of 240.26 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbenzo[h]chromene-5,6-dione is sourced from PubChem (CID 24991545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).